Geometry & MOs

Info

ID:

167489

PubChem CID:

74835640

Reduced:

N2O2C21H34 (1)

Stoich.:

A2B2C21D34 (1)

Weight, g/mol:

686.320331

ΔHf, kcal/mol:

-109.48

Dipole, Da:

8.91

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCC(CC)CNC1=CC(=C(C#N)C(=O)OCC)CC(C1)(C)C

DOS

IR

Vibrations